Make `_subsample_topology` in AFE and SepTop Protocols return the file path?

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Assessment

Difficulty
2/5
Estimated time
1-3 hours
Newbie friendliness
64/100
Issue type
Feature
Clarity
Mostly clear
Activity status
Quiet
Tech stack
python
Domain
backend

Research direction

Locate _subsample_topology in the AFE and SepTop Protocols and inspect its callers to understand how the generated subsampled PDB path is currently handled. Confirm the behavior when selection indices are empty and non-empty, then update both protocol implementations consistently. Done means callers can use the returned path without boilerplate and existing tests pass.

Written by the indexing model from the issue text.

Description

That method gets the selection indices and writes a subsampled PDB file if there are > 0 indices. It might be good for it to return the file path of the subsampled PBD if it was written, avoiding further boilerplate code later on.

Dominant language
Python
Stars
332
Forks
56
Avg merge
5d 19h
Merged PRs (30d)
10

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